Re: example 1 problems

From: David A. Case <>
Date: Tue 17 Sep 2002 07:45:31 -0700

On Tue, Sep 17, 2002, Alicia Hopkins wrote:
> >
> > Example 1 is from Amber 6, specifically titled Minimization of BPTI in
> vacuum.

Thanks. You should be aware that there have been some changes between
Amber 6 and 7, so that running Amber7 using Amber 6 demos might cause

> When I specify the leaprc location in the search path; must I do this
> every time I invoke teLeap? Surely there is a shortcut!

You could alias "tleap" to "tleap -f leaprc.ff94" (or similar).

> The leap.log file lives in the test directory; I think this is a problem
> too, how should I go about fixing this?

The location (and name) of the log file is specified in the leaprc file.
These generally point to the current directory and name the file "leap.log".
Just edit your leaprc file to get different behavior.


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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Received on Tue Sep 17 2002 - 07:45:31 PDT
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